SCHEMBL19903969

SCHEMBL19903969

C=CC(=O)OCCN(CCOC(C)(C)CCOC(C)(C)CCO)c1ccc(N)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
PHLPP2 Q6ZVD8 1/20 0.33
CYP2D6 P10635 1/20 0.32
MAOA P21397 1/20 0.32
HTR3A P46098 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRB P10828 1/20 0.32
ESRRG P62508 1/20 0.30
HPGD P15428 1/20 0.30
PPARG P37231 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19904003 0.85 PHLPP2 (0.33) TSHRPHLPP2CYP2D6MAOAHTR3A
SCHEMBL14679866 0.82 THRB (0.43) TSHRPHLPP2CYP2D6MAOAHTR3A
SCHEMBL19904030 0.78 TSHR (0.49) TSHRPHLPP2CYP2D6MAOAHTR3A
SCHEMBL19981010 0.76 THRB (0.38) TSHRPHLPP2CYP2D6MAOAHTR3A
SCHEMBL19980951 0.76 MAPT (0.38) TSHRPHLPP2CYP2D6MAOAHTR3A
SCHEMBL15682924 0.73 TSHR (0.55) TSHRTHRBHPGD
SCHEMBL21322323 0.72 PHLPP2 (0.47) TSHRPHLPP2CYP2D6MAOAHTR3A
SCHEMBL14341772 0.72 THRB (0.43) TSHRNPSR1THRBHPGD
SCHEMBL13206328 0.72 ESRRG (0.42) TSHRPHLPP2CYP2D6MAOAHTR3A
SCHEMBL17067685 0.72 TSHR (0.58) TSHRTHRBHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233944-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-09-04 EP disclosed
EP-2393849-B1 COLOURED PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2019-06-19 EP disclosed
EP-2393851-B1 COLOURED PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-02-28 EP disclosed